Found 73 results

Search term: C14H18O9 (Found by molecular formula)
ChemSpider 2D Image | [2-(beta-D-Glucopyranosyloxy)-5-hydroxyphenyl]acetic acid | C14H18O9

[2-(β-D-Glucopyranosyloxy)-5-hydroxyphenyl]acetic acid

  • Molecular FormulaC14H18O9
  • Average mass330.287 Da
  • Monoisotopic mass330.095093 Da
  • ChemSpider ID31120086

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5-hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid
[2-(β-D-Glucopyranosyloxy)-5-hydroxyphenyl]acetic acid [ACD/IUPAC Name]
[2-(β-D-Glucopyranosyloxy)-5-hydroxyphenyl]essigsäure [German] [ACD/IUPAC Name]
118555-82-1 [RN]
2-(5-hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid
Acide [2-(β-D-glucopyranosyloxy)-5-hydroxyphényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-(β-D-glucopyranosyloxy)-5-hydroxy- [ACD/Index Name]
BENZENEACETIC ACID, 2-(B-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-
MFCD32874112
Phaseoloidin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 672.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 253.0±25.0 °C
Index of Refraction: 1.663
Molar Refractivity: 75.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 202.4±3.0 cm3

Click to predict properties on the Chemicalize site


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